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CAS 72691-25-9 DEHYDRO-L-(+)-ASCORBIC ACID DIMER molecular structure lightbox
CAS RN: 72691-25-9

DEHYDRO-L-(+)-ASCORBIC ACID DIMER

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251223 100mg In stock Shanghai Inquiry
  • Product code: starshine_CAS72691-25-9
  • Purity/Analytical Methods: >99.0%
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72691-25-9 / 6,10,12,16-tetrahydroxy-2,4,8,11,14,18-hexaoxapentacyclo[10.6.0.01,15.03,7.03,10]octadecane-9,13-dione

Standard CAS: 72691-25-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
72691-25-9
Multi CAS
Yes
Molecular Formula
C12H12O12
Molecular Weight
348.220000
Exact Mass
348.032876
InChI
InChI=1S/C12H12O12/c13-3-1-19-11-5(3)21-7(15)9(11,17)23-10(18)8(16)22-6-4(14)2-20-12(6,10)24-11/h3-6,13-14,17-18H,1-2H2
InChIKey
MUYNUOXIHSNESP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Fraction Csp3
0.83
H-bond acceptors
12
H-bond donors
4
Molar refractivity
61.21
TPSA
170.44

LogP / Solubility

WLOGP
-4.56
MLOGP
-4
XLogP3
-4.3
Consensus LogP
-4.29
Log S (ESOL)
0.88
Class (ESOL)
Highly soluble
Log S (Ali)
0.88
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.86
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-8.08

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
9.5

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